4-{[3-({1-[(furan-2-yl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-1H-indol-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-({1-[(furan-2-yl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-1H-indol-1-yl]methyl}benzonitrile
4-{[3-({1-[(furan-2-yl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-1H-indol-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | 4175-1035 |
| Compound Name: | 4-{[3-({1-[(furan-2-yl)methyl]-2,4,6-trioxo-1,3-diazinan-5-ylidene}methyl)-1H-indol-1-yl]methyl}benzonitrile |
| Molecular Weight: | 450.45 |
| Molecular Formula: | C26 H18 N4 O4 |
| Smiles: | C(c1ccco1)N1C(C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3258 |
| logD: | 3.2338 |
| logSw: | -3.3334 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.539 |
| InChI Key: | XTSQDXSCLAMHCQ-UHFFFAOYSA-N |